Information card for entry 4101313

Structure parameters

• Formula: B2 O7 Se2
• Calculated formula: B2 O7 Se2
• Title of publication: Se2(B2O7): a new type of second-order NLO material.
• Authors of publication: Kong, Fang; Huang, Shu-Ping; Sun, Zhong-Ming; Mao, Jiang-Gao; Cheng, Wen-Dan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 24
• Pages of publication: 7750 - 7751
• a: 7.4815 ± 0.0006 Å
• b: 7.8984 ± 0.0005 Å
• c: 9.0478 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 534.65 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No